N-(2-bromanyl-4-methyl-phenyl)-1-[(2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]piperidine-4-carboxamide

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-1-[(2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]piperidine-4-carboxamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]piperidine-4-carboxamide CAS Name: N-(2-bromo-4-methylphenyl)-1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]-4-piperidinecarboxamide IUPAC Name: N-(2-bromo-4-methylphenyl)-1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]piperidine-4-carboxamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-1-[(2-keto-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]isonipecotamide Formula: C23H26BrN3O4S MolecularWeight: 520.43924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)NC(=O)CCC4)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)NC(=O)CCC4)Br

InChI

InChI=1S/C23H26BrN3O4S/c1-15-5-7-21(19(24)13-15)26-23(29)16-9-11-27(12-10-16)32(30,31)18-6-8-20-17(14-18)3-2-4-22(28)25-20/h5-8,13-14,16H,2-4,9-12H2,1H3,(H,25,28)(H,26,29)